SCHEMBL2453876

SCHEMBL2453876

Nc1ncnc(Oc2cccc3c2CCCC3)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
RXRA P19793 7/20 0.37
RXRB P28702 6/20 0.37
RXRG P48443 5/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
SCN9A Q15858 1/20 0.35
MAPT P10636 2/20 0.34
BRAF P15056 1/20 0.34
MET P08581 1/20 0.34
KDR P35968 1/20 0.34
RET P07949 1/20 0.34
EGFR P00533 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12303640 0.84 RET (0.54) METKDRRET
SCHEMBL2452688 0.84 RET (0.54) METKDRRET
SCHEMBL2452685 0.84 RET (0.54) METKDRRET
SCHEMBL2451345 0.75 KDR (0.43) ALDH1A1TP53SMN1; SMN2MAPTKDR
SCHEMBL2453270 0.74 KDM1A (0.47) ALDH1A1TP53SMN1; SMN2MAPTKDR
SCHEMBL1095145 0.73 EGFR (0.57) ALDH1A1SMN1; SMN2EGFR
SCHEMBL2455070 0.71 LMNA (0.47) ALDH1A1TP53SMN1; SMN2MAPT
SCHEMBL13019936 0.71 SRC (0.46) ALDH1A1SMN1; SMN2KDRRETEGFR
SCHEMBL31312989 0.70 BCL2L1 (0.54) SMN1; SMN2RXRARXRBRXRGBRAF
SCHEMBL2451183 0.70 LMNA (0.41) ALDH1A1TP53SMN1; SMN2SCN9AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK ALDH1A1 2496/4885TP53 999/4885SMN1; SMN2 2628/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.